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Published in 2018 at "Journal of the Physical Society of Japan"
DOI: 10.7566/jpsj.87.014003
Abstract: We present a method of reducing the size of a Hamiltonian matrix used in calculations of electronic states. In the electronic states calculations using plane wave basis functions, a large number of plane waves are…
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Keywords:
using plane;
energy;
matrix;
calculations using ... See more keywords